2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide

C15H17N3O2 — CID 65471386

IUPAC2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide
SMILESCc1cc(CN)cc(C)c1Oc1ncccc1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-9-6-11(8-16)7-10(2)13(9)20-15-12(14(17)19)4-3-5-18-15/h3-7H,8,16H2,1-2H3,(H2,17,19)
InChIKeyRZVBKZQEVDQHFS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.05
Rot. Bonds4

About 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide

2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide (PubChem CID 65471386) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide
PubChem CID65471386
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide
SMILESCc1cc(CN)cc(C)c1Oc1ncccc1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-9-6-11(8-16)7-10(2)13(9)20-15-12(14(17)19)4-3-5-18-15/h3-7H,8,16H2,1-2H3,(H2,17,19)
InChIKeyRZVBKZQEVDQHFS-UHFFFAOYSA-N
XLogP2.05
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486329
2-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carboxamide
CID 107709590
2-(3-hydroxyphenoxy)pyridine-3-carboxamide
CID 60870286
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485697
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137
(3-carbamoyl-2-pyridinyl) 4-methylbenzenesulfonate
CID 174559112
methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79843451
3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443048

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide (CID 65471386) is 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide is Cc1cc(CN)cc(C)c1Oc1ncccc1C(N)=O.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide?
The InChIKey is RZVBKZQEVDQHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-6-11(8-16)7-10(2)13(9)20-15-12(14(17)19)4-3-5-18-15/h3-7H,8,16H2,1-2H3,(H2,17,19).
What are the key properties of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide?
2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 65471386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).